MMsINC Database Search


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MMsINC code: MMs00757206

Type: Neutral
Formula: C₁₄H₁₀N₄O₂

SMILES:

O=[N+]([O-])c1ccc(Nc2ncnc3c2cccc3)cc1

InChI:

InChI=1/C14H10N4O2/c19-18(20)11-7-5-10(6-8-11)17-14-12-3-1-2-4-13(12)15-9-16-14/h1-9H,(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0075 kcal/mol

Physical Properties
Molecular Weight: 266.26 g/mol	logS: -4.85623	SlogP: 3.2816	Reactive groups: 0

Topological Properties
Globularity: 0.0179735	Sterimol/B1: 2.34866	Sterimol/B2: 2.46648	Sterimol/B3: 2.97723
Sterimol/B4: 6.38221	Sterimol/L: 15.723

Surface and Volume Properties
Accessible surface: 466.242	Positive charged surface: 234.424	Negative charged surface: 226.411	Volume: 238.75
Hydrophobic surface: 310.484	Hydrophilic surface: 155.758

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.